Au2P2S8Tl4

Au2P2S8Tl4 is a thermodynamically stable, semiconducting quaternary compound containing gold, phosphorus, sulfur, and thallium.

AuPSTl
Crystal structure of Au2P2S8Tl4
Ground-state structure · Materials Project
Overview

About Au2P2S8Tl4

Au2P2S8Tl4 is a complex quaternary compound composed of gold, phosphorus, sulfur, and thallium. As a thermodynamically stable phase residing on the convex hull, it represents a robust arrangement of these elements within its crystalline lattice.

This material exhibits semiconducting electronic character, making it an intriguing candidate for investigation in specialized electronic or optoelectronic applications. Its existence across multiple structural databases underscores its significance as a well-defined inorganic crystalline phase.

At a glance

Key Properties

Cross-validated computational properties for Au2P2S8Tl4, aggregated across 3 databases.

Band Gap

1.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Au2P2S8Tl4 is used.

semiconductor researchsolid-state chemistry investigationmaterials discovery
Reference

Frequently Asked Questions

Common questions about Au2P2S8Tl4, answered from cross-validated data.

What is Au2P2S8Tl4?

Au2P2S8Tl4 is a thermodynamically stable, semiconducting quaternary compound containing gold, phosphorus, sulfur, and thallium.

More questions
What is Au2P2S8Tl4 used for?
Au2P2S8Tl4 is used in semiconductor research, solid-state chemistry investigation, and materials discovery.
What is the band gap of Au2P2S8Tl4?
Au2P2S8Tl4 has a DFT-computed band gap of 1.30 eV across 3 reported structures.
Is Au2P2S8Tl4 a metal, semiconductor, or insulator?
With a band gap up to 1.30 eV it is a semiconductor.
Is Au2P2S8Tl4 thermodynamically stable?
Yes — Au2P2S8Tl4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Au2P2S8Tl4 are known?
3 structures of Au2P2S8Tl4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Au2P2S8Tl4 contain?
Au2P2S8Tl4 contains Au, P, S, and Tl (4 elements).
Where does the data for Au2P2S8Tl4 come from?
Au2P2S8Tl4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary inorganic compound, Au2P2S8Tl4 occupies a unique niche in solid-state chemistry. While it shares elemental constituents common to various chalcogenide and pnictide families, its specific stoichiometry and stable configuration distinguish it as a singular subject for structural and electronic characterization.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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